Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Experiment: 2Herb: 12Ingredient: 1Reference: 4Target: 12Links: 30
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11394
- Core Entity Id
- 15831
- Source Entity Count
- 1
- Preferred Name
- Aristolochicacid
- Name En
- Pubchem Id
- 108168
- Smiles Canonical
- C1OC2=C(O1)C3=C(C(=C2)C(=O)O)C(=CC4=CC=CC=C43)[N+](=O)[O-]
- Molecular Formula
- C16H9NO6
- Molecular Weight
- 311.2490
- Inchikey
- BBFQZRXNYIEMAW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H9NO6/c18-16(19)10-6-12-15(23-7-22-12)14-9-4-2-1-3-8(9)5-11(13(10)14)17(20)21/h1-6H,7H2,(H,18,19)
- Isomeric Smiles
- C1OC2=C(O1)C3=C(C(=C2)C(=O)O)C(=CC4=CC=CC=C43)[N+](=O)[O-]
- Cas Id
- Ob Score
- 20.6144
- Mol Logp
- 3.3281
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.4420
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Aristolochic Acid Ⅲ
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Aristolochic Acid Ⅲa
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Aristolochic Acid Ⅶa
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Aristolochic Acidⅱ
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Aristolochic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Aristolochic acid a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Aristolochic acid ⅲa
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Aristolochic acidⅱ
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Aristolochicacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
aristolochic acid A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
aristolochic acid Ⅲa
Role
preferred
Source
TCMBank
Preferred
Yes
Name
淮通;印度马兜铃;关木通;汉城细辛;北马兜铃根;北马兜铃;朱砂莲;淮通;加拿大细辛;朱砂莲;绵毛马兜铃;广防己;马兜铃;汉防己;关木通;辽细辛;青木香(马兜铃根);马兜铃;细辛;加拿大细辛;块茎马兜铃;青木香
Role
TCM_name
Source
TCMBank
Preferred
No
Name
马兜铃酸
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HUAI TONG;YIN DU MA DOU LING;GUAN MU TONG;HAN CHENG XI XIN;BEI MA DOU LING GEN;BEI MA DOU LING;ZHU SHA LIAN;YIN DU MA DOU LING;HUAI TONG;MA DOU LING GEN;JIA NA DA XI XIN;KUAI JING MA DOU LING;ZHU SHA LIAN;MIAN MAO MA DOU LING;HAN FENG JI;GUANG FANG JI;GUANG FANG JI;MA DOU LING;HAN FANG JI;GUAN MU TONG;LIAO XI XIN;QING MU XIANG;MA DOU LING;XI XIN;JIA NA DA XI XIN;
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Moupin Dutchmanspipe;Indian Dutchmanspipe*;Manchurian Dutchmanspipe;Seoul Siebold Wildginger;Northern Dutchmanspipe Root;Northern Dutchmanspipe;Kaempfer Dutchmanspipe;Indian Dutchmanspipe*;Maupin Dutchmanspipe;Canadian Snakeroot;Tuberous Dutchmanspipe;Kaempfer Dutchmanspipe;Wooly Dutchmanspipe;Fangchi;Fangchi;Slender Dutchmanspipe;Yellowmouth Dutchmanspipe;Manchurian Dutchmanspipe;Manchurian Wildginger;Slender Dutchmanspipe Root;Slender Dutchmanspipe;Siebold Wildginger;Canadian Snakeroot;Tuberous Dutchmanspipe;Slender Dutchmanspipe Root
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
12770-90-0
Role
alias
Source
TCMBank
Preferred
No
Name
3,4-Methylenedioxy-8-methoxy-10-nitro-1-phenanthrenecarboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
313-67-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
313-67-7
Role
alias
Source
HERB_v2
Preferred
No
Name
313-67-7
Role
alias
Source
TCMBank
Preferred
No
Name
313A677
Role
alias
Source
TCMBank
Preferred
No
Name
475-80-9
Role
alias
Source
HERB_v2
Preferred
No
Name
475-80-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
61117-05-3
Role
alias
Source
TCMBank
Preferred
No
Name
8-METHOXY-6-NITROPHENANTHROL(3,4-D)-1,3-DIOXIDE-5-
Role
alias
Source
TCMBank
Preferred
No
Name
8-METHOXY-6-NITROPHENANTHROL(3,4-D)-1,3-DIOXIDE-5-CARBOXYLIC ACID
Role
alias
Source
TCMBank
Preferred
No
Name
8-Methoxy-3,4-methylendioxxy-10-nitro-1-phenanthrencarbonsaeure
Role
alias
Source
TCMBank
Preferred
No
Name
8-Methoxy-3,4-methylenedioxy-10-nitrophenanthrene-1-carboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
8-Methoxy-6-Nitrophenanthol-(3,4-d)-1,3-Dioxole-5-Carboxylic Acid
Role
alias
Source
TCMBank
Preferred
No
Name
8-Methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
8-methoxy-6-nitro-2H-phenanthro[3,4-d]1,3-dioxolene-5-carboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
8-methoxy-6-nitro-2H-phenanthro[4,3-d]1,3-dioxolene-5-carboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
94218WFP5T
Role
alias
Source
TCMBank
Preferred
No
Name
A000071790
Role
alias
Source
TCMBank
Preferred
No
Name
AB0028965
Role
alias
Source
TCMBank
Preferred
No
Name
AC1L1D86
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS015896751
Role
alias
Source
TCMBank
Preferred
No
Name
AN-319
Role
alias
Source
TCMBank
Preferred
No
Name
API0000398
Role
alias
Source
TCMBank
Preferred
No
Name
ARISTOLOCHINE
Role
alias
Source
HERB_v2
Preferred
No
Name
ARISTOLOCHINE
Role
alias
Source
itcmdb_public
Preferred
No
Name
ARISTOLOCHINE
Role
alias
Source
TCMBank
Preferred
No
Name
Ambotz313-67-7
Role
alias
Source
TCMBank
Preferred
No
Name
Aristinic acid
Role
alias
Source
TCMBank
Preferred
No
Name
Aristolochia yellod
Role
alias
Source
TCMBank
Preferred
No
Name
Aristolochia, European Pharmacopoeia (EP) Reference Standard
Role
alias
Source
TCMBank
Preferred
No
Name
Aristolochiazaeure
Role
alias
Source
TCMBank
Preferred
No
Name
Aristolochic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aristolochic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Aristolochic acid 1
Role
alias
Source
TCMBank
Preferred
No
Name
Aristolochic acid A
Role
alias
Source
HERB_v2
Preferred
No
Name
Aristolochic acid A
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aristolochic acid B
Role
alias
Source
HERB_v2
Preferred
No
Name
Aristolochic acid B
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aristolochic acid I
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aristolochic acid I
Role
alias
Source
HERB_v2
Preferred
No
Name
Aristolochic acid I
Role
alias
Source
TCMBank
Preferred
No
Name
Aristolochic acid I, European Pharmacopoeia (EP) Reference Standard
Role
alias
Source
TCMBank
Preferred
No
Name
Aristolochic acid I, powder
Role
alias
Source
TCMBank
Preferred
No
Name
Aristolochic acid II
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aristolochic acid II
Role
alias
Source
HERB_v2
Preferred
No
Name
Aristolochic-acid-A
Role
alias
Source
TCMBank
Preferred
No
Name
Aristolochid
Role
alias
Source
TCMBank
Preferred
No
Name
Aristolochin
Role
alias
Source
HERB_v2
Preferred
No
Name
Aristolochin
Role
alias
Source
TCMBank
Preferred
No
Name
Aristolochin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aristolochind
Role
alias
Source
TCMBank
Preferred
No
Name
BB72D5PU2Y
Role
alias
Source
itcmdb_public
Preferred
No
Name
BB72D5PU2Y
Role
alias
Source
HERB_v2
Preferred
No
Name
BBFQZRXNYIEMAW-UHFFFAOYSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
BDBM50306855
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 0329754
Role
alias
Source
HERB_v2
Preferred
No
Name
BRN 0329754
Role
alias
Source
itcmdb_public
Preferred
No
Name
BRN 0345159
Role
alias
Source
TCMBank
Preferred
No
Name
BSPBio_001440
Role
alias
Source
TCMBank
Preferred
No
Name
BSPBio_002848
Role
alias
Source
TCMBank
Preferred
No
Name
Bio1_000418
Role
alias
Source
TCMBank
Preferred
No
Name
Bio1_000907
Role
alias
Source
TCMBank
Preferred
No
Name
Bio1_001396
Role
alias
Source
TCMBank
Preferred
No
Name
Bio2_000160
Role
alias
Source
TCMBank
Preferred
No
Name
Bio2_000640
Role
alias
Source
TCMBank
Preferred
No
Name
Birthwort
Role
alias
Source
TCMBank
Preferred
No
Name
Birthwort
Role
alias
Source
itcmdb_public
Preferred
No
Name
Birthwort
Role
alias
Source
HERB_v2
Preferred
No
Name
C-20352
Role
alias
Source
TCMBank
Preferred
No
Name
C08469
Role
alias
Source
TCMBank
Preferred
No
Name
C17H11NO7
Role
alias
Source
TCMBank
Preferred
No
Name
CC-24181
Role
alias
Source
TCMBank
Preferred
No
Name
CCG-35796
Role
alias
Source
TCMBank
Preferred
No
Name
CCG-36162
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 1544
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 6497
Role
alias
Source
HERB_v2
Preferred
No
Name
CCRIS 6497
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:2825
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL602280
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL602280
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL93353
Role
alias
Source
TCMBank
Preferred
No
Name
CTK4G6973
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID0040969
Role
alias
Source
TCMBank
Preferred
No
Name
Descresepd
Role
alias
Source
TCMBank
Preferred
No
Name
DivK1c_006544
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 206-238-3
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 207-499-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 207-499-6
Role
alias
Source
HERB_v2
Preferred
No
Name
FT-0602867
Role
alias
Source
TCMBank
Preferred
No
Name
HMS1361H22
Role
alias
Source
TCMBank
Preferred
No
Name
HMS1791H22
Role
alias
Source
TCMBank
Preferred
No
Name
HMS1989H22
Role
alias
Source
TCMBank
Preferred
No
Name
HMS3402H22
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 7179
Role
alias
Source
TCMBank
Preferred
No
Name
I07-0211
Role
alias
Source
TCMBank
Preferred
No
Name
IDI1_033910
Role
alias
Source
TCMBank
Preferred
No
Name
KBio1_001488
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_000160
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_001636
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_002728
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_004204
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_005296
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_006772
Role
alias
Source
TCMBank
Preferred
No
Name
KBio3_000319
Role
alias
Source
TCMBank
Preferred
No
Name
KBio3_000320
Role
alias
Source
TCMBank
Preferred
No
Name
KBio3_002068
Role
alias
Source
TCMBank
Preferred
No
Name
KBioGR_000160
Role
alias
Source
TCMBank
Preferred
No
Name
KBioGR_002387
Role
alias
Source
TCMBank
Preferred
No
Name
KBioSS_000160
Role
alias
Source
TCMBank
Preferred
No
Name
KBioSS_001636
Role
alias
Source
TCMBank
Preferred
No
Name
LS-21656
Role
alias
Source
TCMBank
Preferred
No
Name
MCULE-3861334509
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00004996
Role
alias
Source
TCMBank
Preferred
No
Name
MLS002695974
Role
alias
Source
TCMBank
Preferred
No
Name
MLS002702976
Role
alias
Source
TCMBank
Preferred
No
Name
MolPort-001-797-985
Role
alias
Source
TCMBank
Preferred
No
Name
N2032
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00017334-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00017334-02
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00017334-03
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00017334-04
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00017334-05
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00017334-06
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00017334-07
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00095981-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00095981-02
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00095981-03
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00095981-04
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00095981-05
Role
alias
Source
TCMBank
Preferred
No
Name
NCI60_000460
Role
alias
Source
TCMBank
Preferred
No
Name
NCIMech_000812
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 11926
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 50413
Role
alias
Source
TCMBank
Preferred
No
Name
Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 6-nitro-
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 6-nitro-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-
Role
alias
Source
TCMBank
Preferred
No
Name
Phenanthro[3,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-
Role
alias
Source
TCMBank
Preferred
No
Name
Phenanthro[3,4-d]-1,3-dioxole-5-carbocylic acid, 8-methoxy-6-nitro-
Role
alias
Source
TCMBank
Preferred
No
Name
Q-100394
Role
alias
Source
TCMBank
Preferred
No
Name
SC-14173
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL166284
Role
alias
Source
TCMBank
Preferred
No
Name
SMR001562128
Role
alias
Source
TCMBank
Preferred
No
Name
SPBio_000743
Role
alias
Source
TCMBank
Preferred
No
Name
SPECTRUM1502233
Role
alias
Source
TCMBank
Preferred
No
Name
SR-05000002369
Role
alias
Source
TCMBank
Preferred
No
Name
SR-05000002369-2
Role
alias
Source
TCMBank
Preferred
No
Name
SR-05000002369-3
Role
alias
Source
TCMBank
Preferred
No
Name
ST057179
Role
alias
Source
TCMBank
Preferred
No
Name
ST50307164
Role
alias
Source
TCMBank
Preferred
No
Name
SpecPlus_000448
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum2_000822
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum3_001114
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum4_001952
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum5_000729
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum_001156
Role
alias
Source
TCMBank
Preferred
No
Name
TNP00273
Role
alias
Source
TCMBank
Preferred
No
Name
TR 1736
Role
alias
Source
HERB_v2
Preferred
No
Name
TR 1736
Role
alias
Source
TCMBank
Preferred
No
Name
TR 1736
Role
alias
Source
itcmdb_public
Preferred
No
Name
TR-013344
Role
alias
Source
TCMBank
Preferred
No
Name
Tardolyd
Role
alias
Source
TCMBank
Preferred
No
Name
Tardolyt
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tardolyt
Role
alias
Source
TCMBank
Preferred
No
Name
Tardolyt
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-94218WFP5T
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-BB72D5PU2Y
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-BB72D5PU2Y
Role
alias
Source
itcmdb_public
Preferred
No
Name
X1086
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC52
Role
alias
Source
TCMBank
Preferred
No
Name
aristolochic acid
Role
alias
Source
TCMBank
Preferred
No
Name
aristolochic acid B
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Aristolochic Acid ⅢAristolochic Acid ⅢaAristolochic Acid ⅦaAristolochic AcidⅱAristolochic acidAristolochic acid a淮通;印度马兜铃;关木通;汉城细辛;北马兜铃根;北马兜铃;朱砂莲;淮通;加拿大细辛;朱砂莲;绵毛马兜铃;广防己;马兜铃;汉防己;关木通;辽细辛;青木香(马兜铃根);马兜铃;细辛;加拿大细辛;块茎马兜铃;青木香马兜铃酸HUAI TONG;YIN DU MA DOU LING;GUAN MU TONG;HAN CHENG XI XIN;BEI MA DOU LING GEN;BEI MA DOU LING;ZHU SHA LIAN;YIN DU MA DOU LING;HUAI TONG;MA DOU LING GEN;JIA NA DA XI XIN;KUAI JING MA DOU LING;ZHU SHA LIAN;MIAN MAO MA DOU LING;HAN FENG JI;GUANG FANG JI;GUANG FANG JI;MA DOU LING;HAN FANG JI;GUAN MU TONG;LIAO XI XIN;QING MU XIANG;MA DOU LING;XI XIN;JIA NA DA XI XIN;Moupin Dutchmanspipe;Indian Dutchmanspipe*;Manchurian Dutchmanspipe;Seoul Siebold Wildginger;Northern Dutchmanspipe Root;Northern Dutchmanspipe;Kaempfer Dutchmanspipe;Indian Dutchmanspipe*;Maupin Dutchmanspipe;Canadian Snakeroot;Tuberous Dutchmanspipe;Kaempfer Dutchmanspipe;Wooly Dutchmanspipe;Fangchi;Fangchi;Slender Dutchmanspipe;Yellowmouth Dutchmanspipe;Manchurian Dutchmanspipe;Manchurian Wildginger;Slender Dutchmanspipe Root;Slender Dutchmanspipe;Siebold Wildginger;Canadian Snakeroot;Tuberous Dutchmanspipe;Slender Dutchmanspipe Root12770-90-03,4-Methylenedioxy-8-methoxy-10-nitro-1-phenanthrenecarboxylic acid313-67-7313A677475-80-961117-05-38-METHOXY-6-NITROPHENANTHROL(3,4-D)-1,3-DIOXIDE-5-8-METHOXY-6-NITROPHENANTHROL(3,4-D)-1,3-DIOXIDE-5-CARBOXYLIC ACID8-Methoxy-3,4-methylendioxxy-10-nitro-1-phenanthrencarbonsaeure8-Methoxy-3,4-methylenedioxy-10-nitrophenanthrene-1-carboxylic acid8-Methoxy-6-Nitrophenanthol-(3,4-d)-1,3-Dioxole-5-Carboxylic Acid8-Methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid8-methoxy-6-nitro-2H-phenanthro[3,4-d]1,3-dioxolene-5-carboxylic acid8-methoxy-6-nitro-2H-phenanthro[4,3-d]1,3-dioxolene-5-carboxylic acid8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid94218WFP5TA000071790AB0028965AC1L1D86AKOS015896751AN-319API0000398ARISTOLOCHINEAmbotz313-67-7Aristinic acidAristolochia yellodAristolochia, European Pharmacopoeia (EP) Reference StandardAristolochiazaeureAristolochic acid 1Aristolochic acid BAristolochic acid IAristolochic acid I, European Pharmacopoeia (EP) Reference StandardAristolochic acid I, powderAristolochic acid IIAristolochic-acid-AAristolochidAristolochinAristolochindBB72D5PU2YBBFQZRXNYIEMAW-UHFFFAOYSA-NBDBM50306855BRN 0329754BRN 0345159BSPBio_001440BSPBio_002848Bio1_000418Bio1_000907Bio1_001396Bio2_000160Bio2_000640BirthwortC-20352C08469C17H11NO7CC-24181CCG-35796CCG-36162CCRIS 1544CCRIS 6497CHEBI:2825CHEMBL602280CHEMBL93353CTK4G6973DTXSID0040969DescresepdDivK1c_006544EINECS 206-238-3EINECS 207-499-6FT-0602867HMS1361H22HMS1791H22HMS1989H22HMS3402H22HSDB 7179I07-0211IDI1_033910KBio1_001488KBio2_000160KBio2_001636KBio2_002728KBio2_004204KBio2_005296KBio2_006772KBio3_000319KBio3_000320KBio3_002068KBioGR_000160KBioGR_002387KBioSS_000160KBioSS_001636LS-21656MCULE-3861334509MFCD00004996MLS002695974MLS002702976MolPort-001-797-985N2032NCGC00017334-01NCGC00017334-02NCGC00017334-03NCGC00017334-04NCGC00017334-05NCGC00017334-06NCGC00017334-07NCGC00095981-01NCGC00095981-02NCGC00095981-03NCGC00095981-04NCGC00095981-05NCI60_000460NCIMech_000812NSC 11926NSC 50413Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 6-nitro-Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-Phenanthro[3,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-Phenanthro[3,4-d]-1,3-dioxole-5-carbocylic acid, 8-methoxy-6-nitro-Q-100394SC-14173SCHEMBL166284SMR001562128SPBio_000743SPECTRUM1502233SR-05000002369SR-05000002369-2SR-05000002369-3ST057179ST50307164SpecPlus_000448Spectrum2_000822Spectrum3_001114Spectrum4_001952Spectrum5_000729Spectrum_001156TNP00273TR 1736TR-013344TardolydTardolytUNII-94218WFP5TUNII-BB72D5PU2YX1086ZINC52
Cross References
Trusted external identifiers retained for this final record.
Cas
313-67-7475-80-9
Hit
C0921
Herb
HBIN016798HBIN016799HBIN016800HBIN016801HBIN016806
Npass
NPC202495NPC46679NPC85661
Tcmid
1713171624175
Tcmsp
MOL010803MOL010804MOL012390MOL012391MOL012392MOL012393MOL012394MOL012395
Sym Map
SMIT11793SMIT11794SMIT13147SMIT13148SMIT13149SMIT13150SMIT13151SMIT13152SMIT14378SMIT18544
Tcm Id
109441094511460148081480914810148111481217704177051770617707177081770966586659
Pub Chem
1081682236
Tcmbank
TCMBANKIN029216TCMBANKIN051937TCMBANKIN058656TCMBANKIN061873
Etcm Ingredient
aristolochic acid Aaristolochic acid Ⅶaaristolochic acid Ⅷa
Itcmdb Generated
ITX-INGREDIENT-220CB6B24950ITX-INGREDIENT-3963FBF4C64DITX-INGREDIENT-50C1F56E6946ITX-INGREDIENT-5F1C056634A6ITX-INGREDIENT-925333B1EABCITX-INGREDIENT-94306103FD5EITX-INGREDIENT-9542CF88BD6DITX-INGREDIENT-A38E9531C66CITX-INGREDIENT-D966ABBC9034ITX-INGREDIENT-EB09C6413275
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H9NO6/c18-16(19)10-6-12-15(23-7-22-12)14-9-4-2-1-3-8(9)5-11(13(10)14)17(20)21/h1-6H,7H2,(H,18,19)InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)
Mol Wt
311.2490000000001341.2750000000001
Smiles
C1OC2=C(O1)C3=C(C(=C2)C(=O)O)C(=CC4=CC=CC=C43)[N+](=O)[O-]COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)Oc1([H])c(C(=O)O[H])c(c(N(O)=O)c([H])c(c(OC([H])([H])[H])c([H])c([H])c2[H])c23)c3c(OC([H])([H])O4)c14
Mol Log P
3.3281000000000023.336700000000001
Version
v1v1,v2
In Ch Ikey
BBFQZRXNYIEMAW-UHFFFAOYSA-NMEEXETVZNQYRSP-UHFFFAOYSA-N
Ob Score
20.6143668332.2277510436.7637665837.5638415544.559468350.3454236859.72459.72415359.7241530962.7162.7104619562.710462
Suppress
01
Tcm Name
淮通;印度马兜铃;关木通;汉城细辛;北马兜铃根;北马兜铃;朱砂莲;淮通;加拿大细辛;朱砂莲;绵毛马兜铃;广防己;马兜铃;汉防己;关木通;辽细辛;青木香(马兜铃根);马兜铃;细辛;加拿大细辛;块茎马兜铃;青木香马兜铃酸
Tcm Name2
HUAI TONG;YIN DU MA DOU LING;GUAN MU TONG;HAN CHENG XI XIN;BEI MA DOU LING GEN;BEI MA DOU LING;ZHU SHA LIAN;YIN DU MA DOU LING;HUAI TONG;MA DOU LING GEN;JIA NA DA XI XIN;KUAI JING MA DOU LING;ZHU SHA LIAN;MIAN MAO MA DOU LING;HAN FENG JI;GUANG FANG JI;GUANG FANG JI;MA DOU LING;HAN FANG JI;GUAN MU TONG;LIAO XI XIN;QING MU XIANG;MA DOU LING;XI XIN;JIA NA DA XI XIN;
Mol2 Path
/TCM_database/2003_3d_all/605.mol2
Reference
6, 334, 517, 660, 658, 661, 3026, 4706, 5501, 5505, 5508
Num Hdonors
1
Tcm Name En
Moupin Dutchmanspipe;Indian Dutchmanspipe*;Manchurian Dutchmanspipe;Seoul Siebold Wildginger;Northern Dutchmanspipe Root;Northern Dutchmanspipe;Kaempfer Dutchmanspipe;Indian Dutchmanspipe*;Maupin Dutchmanspipe;Canadian Snakeroot;Tuberous Dutchmanspipe;Kaempfer Dutchmanspipe;Wooly Dutchmanspipe;Fangchi;Fangchi;Slender Dutchmanspipe;Yellowmouth Dutchmanspipe;Manchurian Dutchmanspipe;Manchurian Wildginger;Slender Dutchmanspipe Root;Slender Dutchmanspipe;Siebold Wildginger;Canadian Snakeroot;Tuberous Dutchmanspipe;Slender Dutchmanspipe Root
Drug Likeness
0.4420.443
Num Hacceptors
56
Isomeric Smiles
C1OC2=C(O1)C3=C(C(=C2)C(=O)O)C(=CC4=CC=CC=C43)[N+](=O)[O-]COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O
Molecule Weight
311.26327.26340.3341.29357.29371.32
Canonical Smiles
C1OC2=C(O1)C3=C(C(=C2)C(=O)O)C(=CC4=CC=CC=C43)[N+](=O)[O-]COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O
Herb Alias Names
Aristolochic acidAristolochic acid A313-67-7Aristolochic acid ITardolytAristolochinAristolochic acid-IBirthwortARISTOLOCHINETR 1736
Molecular Weight
340.060357.050
Molecular Weight
311.24 g/mol327.26341.27 g/mol
Molecule Formula
C17H11NO7
Molecular Formula
C17H11NO8C18H12O7
Molecular Formula
C16H9NO6C17H11NO7C17H12NO7
Molecular Formula
C16H9NO6C17H11NO7
Num Rotatable Bonds
23
Fda Maximum Daily Dose (Fdamdd)
0.0140.3220.336
Quantitative Estimate Of Drug Likeness（Qed）
0.4160.706