Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21332
- Core Entity Id
- 26898
- Source Entity Count
- 1
- Preferred Name
- Hernandonine
- Name En
- Pubchem Id
- 500428
- Smiles Canonical
- C1OC2=C(O1)C3=C(C=C2)C(=O)C4=NC=CC5=CC6=C(C3=C54)OCO6
- Molecular Formula
- C18H9NO5
- Molecular Weight
- 319.2720
- Inchikey
- QHFWZNALDDSHFJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H9NO5/c20-16-9-1-2-10-17(23-6-21-10)13(9)14-12-8(3-4-19-15(12)16)5-11-18(14)24-7-22-11/h1-5H,6-7H2
- Isomeric Smiles
- C1OC2=C(O1)C3=C(C=C2)C(=O)C4=NC=CC5=CC6=C(C3=C54)OCO6
- Cas Id
- Ob Score
- Mol Logp
- 2.9036
- Num H Donors
- 0
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4960
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hernandonine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Hernandonine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Hernandonine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Hernandonine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
鼎湖钓樟
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DING HU DIAO ZHANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chun’s Spicebush
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
11H-(1,3)Benzodioxolo(6,5,4-de)-1,3-benzodioxolo(4,5-g)quinolin-11-one
Role
alias
Source
HERB_v2
Preferred
No
Name
11H-[1,3]Benzodioxolo[6,5,4-de]-1,3-benzodioxolo[4,5-g]quinolin-11-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
11H-bis[1,3]benzodioxolo[6,5,4-de:4',5'-g]quinolin-11-one
Role
alias
Source
HERB_v2
Preferred
No
Name
11H-bis[1,3]benzodioxolo[6,5,4-de:4',5'-g]quinolin-11-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
28314-78-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
28314-78-5
Role
alias
Source
HERB_v2
Preferred
No
Name
4,6,19,21-tetraoxa-13-azahexacyclo[10.10.1.02,10.03,7.016,23.018,22]tricosa-1(23),2(10),3(7),8,12,14,16,18(22)-octaen-11-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,6,19,21-tetraoxa-13-azahexacyclo[10.10.1.02,10.03,7.016,23.018,22]tricosa-1(23),2(10),3(7),8,12,14,16,18(22)-octaen-11-one
Role
alias
Source
HERB_v2
Preferred
No
Name
8H-Bis(1,3)benzodioxolo(6,5,4-de:4',5'-g)quinolin-8-one
Role
alias
Source
HERB_v2
Preferred
No
Name
8H-Bis(1,3)benzodioxolo(6,5,4-de:4',5'-g)quinolin-8-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:66011
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:66011
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90182561
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90182561
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27134515
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27134515
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
鼎湖钓樟DING HU DIAO ZHANGChun’s Spicebush11H-(1,3)Benzodioxolo(6,5,4-de)-1,3-benzodioxolo(4,5-g)quinolin-11-one11H-[1,3]Benzodioxolo[6,5,4-de]-1,3-benzodioxolo[4,5-g]quinolin-11-one11H-bis[1,3]benzodioxolo[6,5,4-de:4',5'-g]quinolin-11-one28314-78-54,6,19,21-tetraoxa-13-azahexacyclo[10.10.1.02,10.03,7.016,23.018,22]tricosa-1(23),2(10),3(7),8,12,14,16,18(22)-octaen-11-one8H-Bis(1,3)benzodioxolo(6,5,4-de:4',5'-g)quinolin-8-oneCHEBI:66011DTXSID90182561Q27134515
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN029179
Npass
NPC254431
Tcmid
9448
Pub Chem
500428
Tcmbank
TCMBANKIN037205
Etcm Ingredient
Hernandonine
Itcmdb Generated
ITX-INGREDIENT-B4A882A97D9F
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H9NO5/c20-16-9-1-2-10-17(23-6-21-10)13(9)14-12-8(3-4-19-15(12)16)5-11-18(14)24-7-22-11/h1-5H,6-7H2
Mol Wt
319.2720000000001
Mol Log P
2.903600000000002
In Ch Ikey
QHFWZNALDDSHFJ-UHFFFAOYSA-N
Tcm Name
鼎湖钓樟
Tcm Name2
DING HU DIAO ZHANG
Mol2 Path
/TCM_database/2007_3d_all/09449.mol2
Reference
4224
Num Hdonors
0
Tcm Name En
Chun’s Spicebush
Drug Likeness
0.496
Num Hacceptors
6
Isomeric Smiles
C1OC2=C(O1)C3=C(C=C2)C(=O)C4=NC=CC5=CC6=C(C3=C54)OCO6
Canonical Smiles
C1OC2=C(O1)C3=C(C=C2)C(=O)C4=NC=CC5=CC6=C(C3=C54)OCO6
Herb Alias Names
28314-78-58H-Bis(1,3)benzodioxolo(6,5,4-de:4',5'-g)quinolin-8-one11H-bis[1,3]benzodioxolo[6,5,4-de:4',5'-g]quinolin-11-one11H-(1,3)Benzodioxolo(6,5,4-de)-1,3-benzodioxolo(4,5-g)quinolin-11-one11H-[1,3]Benzodioxolo[6,5,4-de]-1,3-benzodioxolo[4,5-g]quinolin-11-oneCHEBI:66011DTXSID901825614,6,19,21-tetraoxa-13-azahexacyclo[10.10.1.02,10.03,7.016,23.018,22]tricosa-1(23),2(10),3(7),8,12,14,16,18(22)-octaen-11-oneQ27134515
Molecular Weight
319.050
Molecular Weight
319.3 g/mol
Molecular Formula
C18H9NO5
Molecular Formula
C18H9NO5
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.879
Quantitative Estimate Of Drug Likeness（Qed）
0.496