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
- 23156
- Core Entity Id
- 28926
- Source Entity Count
- 1
- Preferred Name
- Japoangelol d
- Name En
- Pubchem Id
- 10674138
- Smiles Canonical
- CCCCCCCC=CC(C#CC#CC(C=C)OC(C)(C)C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O
- Molecular Formula
- C33H38O7
- Molecular Weight
- 546.6600
- Inchikey
- ZUIYHSOAFCLTEN-QINSGFPZSA-N
- Inchi
- InChI=1S/C33H38O7/c1-5-7-8-9-10-11-12-15-24(34)16-13-14-17-25(6-2)40-33(3,4)30(35)23-38-32-26-18-19-31(36)39-29(26)22-28-27(32)20-21-37-28/h6,12,15,18-22,24-25,30,34-35H,2,5,7-11,23H2,1,3-4H3/b15-12-
- Isomeric Smiles
- CCCCCCC/C=C\C(C#CC#CC(C=C)OC(C)(C)C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O
- Cas Id
- Ob Score
- Mol Logp
- 5.9131
- Num H Donors
- 2
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 14
- Drug Likeness
- 0.1120
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Japoangelol d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Japoangelol d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
japoangelol D
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN031426
Npass
NPC67400
Tcmid
38279
Pub Chem
10674138
Tcmbank
TCMBANKIN003474
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C33H38O7/c1-5-7-8-9-10-11-12-15-24(34)16-13-14-17-25(6-2)40-33(3,4)30(35)23-38-32-26-18-19-31(36)39-29(26)22-28-27(32)20-21-37-28/h6,12,15,18-22,24-25,30,34-35H,2,5,7-11,23H2,1,3-4H3/b15-12-
Mol Wt
546.6600000000004
Smiles
CCCCCCCC=CC(C#CC#CC(C=C)OC(C)(C)C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O
Mol Log P
5.913100000000009
In Ch Ikey
ZUIYHSOAFCLTEN-QINSGFPZSA-N
Num Hdonors
2
Drug Likeness
0.112
Num Hacceptors
7
Isomeric Smiles
CCCCCCC/C=C\C(C#CC#CC(C=C)OC(C)(C)C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O
Canonical Smiles
CCCCCCCC=CC(C#CC#CC(C=C)OC(C)(C)C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O
Molecular Weight
546.6 g/mol
Molecular Formula
C33H38O7
Molecular Formula
C33H38O7
Num Rotatable Bonds
14