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
- 24679
- Core Entity Id
- 30624
- Source Entity Count
- 1
- Preferred Name
- Lindechunine a
- Name En
- Pubchem Id
- 497803
- Smiles Canonical
- COC1=C2C(=C3C4=C(C=CC(=C4OC)O)C(=O)C5=NC=CC1=C35)OCO2
- Molecular Formula
- C19H13NO6
- Molecular Weight
- 351.3140
- Inchikey
- ZLFKJSKABHQLAQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H13NO6/c1-23-16-9-5-6-20-14-11(9)13(18-19(16)26-7-25-18)12-8(15(14)22)3-4-10(21)17(12)24-2/h3-6,21H,7H2,1-2H3
- Isomeric Smiles
- COC1=C2C(=C3C4=C(C=CC(=C4OC)O)C(=O)C5=NC=CC1=C35)OCO2
- Cas Id
- Ob Score
- Mol Logp
- 2.8977
- Num H Donors
- 1
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5940
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lindechunine A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Lindechunine A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Lindechunine a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lindechunine a
Role
preferred
Source
HERB_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
11-hydroxy-4,12-dimethoxy-8H-(1,3)benzodioxolo(6,5,4-de)benzo(g)quinolin-8-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
11-hydroxy-4,12-dimethoxy-8H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-8-one
Role
alias
Source
HERB_v2
Preferred
No
Name
17-hydroxy-7,18-dimethoxy-3,5-dioxa-11-azapentacyclo(10.7.1.02,6.08,20.014,19)icosa-1,6,8(20),9,11,14(19),15,17-octaen-13-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
17-hydroxy-7,18-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),9,11,14(19),15,17-octaen-13-one
Role
alias
Source
HERB_v2
Preferred
No
Name
532391-61-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
532391-61-0
Role
alias
Source
HERB_v2
Preferred
No
Name
8H-1,3-Benzodioxolo[6,5,4-de]benzo[g]quinolin-8-one, 11-hydroxy-4,12-dimethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
8H-1,3-Benzodioxolo[6,5,4-de]benzo[g]quinolin-8-one, 11-hydroxy-4,12-dimethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:66577
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:66577
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27135192
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27135192
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 Spicebush11-hydroxy-4,12-dimethoxy-8H-(1,3)benzodioxolo(6,5,4-de)benzo(g)quinolin-8-one11-hydroxy-4,12-dimethoxy-8H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-8-one17-hydroxy-7,18-dimethoxy-3,5-dioxa-11-azapentacyclo(10.7.1.02,6.08,20.014,19)icosa-1,6,8(20),9,11,14(19),15,17-octaen-13-one17-hydroxy-7,18-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),9,11,14(19),15,17-octaen-13-one532391-61-08H-1,3-Benzodioxolo[6,5,4-de]benzo[g]quinolin-8-one, 11-hydroxy-4,12-dimethoxy-CHEBI:66577Q27135192
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN033294
Npass
NPC262185
Tcmid
12854
Pub Chem
497803
Tcmbank
TCMBANKIN044751
Etcm Ingredient
Lindechunine A
Itcmdb Generated
ITX-INGREDIENT-AD1A2D445550
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H13NO6/c1-23-16-9-5-6-20-14-11(9)13(18-19(16)26-7-25-18)12-8(15(14)22)3-4-10(21)17(12)24-2/h3-6,21H,7H2,1-2H3
Mol Wt
351.3140000000001
Mol Log P
2.897700000000001
In Ch Ikey
ZLFKJSKABHQLAQ-UHFFFAOYSA-N
Tcm Name
鼎湖钓樟
Tcm Name2
DING HU DIAO ZHANG
Mol2 Path
/TCM_database/2007_3d_all/12860.mol2
Reference
4224
Num Hdonors
1
Tcm Name En
Chun’s Spicebush
Drug Likeness
0.594
Num Hacceptors
7
Isomeric Smiles
COC1=C2C(=C3C4=C(C=CC(=C4OC)O)C(=O)C5=NC=CC1=C35)OCO2
Canonical Smiles
COC1=C2C(=C3C4=C(C=CC(=C4OC)O)C(=O)C5=NC=CC1=C35)OCO2
Herb Alias Names
CHEBI:6657711-hydroxy-4,12-dimethoxy-8H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-8-one17-hydroxy-7,18-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),9,11,14(19),15,17-octaen-13-one11-hydroxy-4,12-dimethoxy-8H-(1,3)benzodioxolo(6,5,4-de)benzo(g)quinolin-8-one17-hydroxy-7,18-dimethoxy-3,5-dioxa-11-azapentacyclo(10.7.1.02,6.08,20.014,19)icosa-1,6,8(20),9,11,14(19),15,17-octaen-13-oneQ271351928H-1,3-Benzodioxolo[6,5,4-de]benzo[g]quinolin-8-one, 11-hydroxy-4,12-dimethoxy-532391-61-0
Molecular Weight
351.070
Molecular Weight
351.3 g/mol
Molecular Formula
C19H13NO6
Molecular Formula
C19H13NO6
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.830
Quantitative Estimate Of Drug Likeness（Qed）
0.754