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
- 23154
- Core Entity Id
- 28924
- Source Entity Count
- 1
- Preferred Name
- Japoangelol b
- Name En
- Pubchem Id
- 10483256
- Smiles Canonical
- CCCCCCCC=CC(C#CC#CC(C=C)OC(C)(C)C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)O
- Molecular Formula
- C34H40O8
- Molecular Weight
- 576.6860
- Inchikey
- NSWJSXKALYPPSU-SSZFMOIBSA-N
- Inchi
- InChI=1S/C34H40O8/c1-6-8-9-10-11-12-13-16-24(35)17-14-15-18-25(7-2)42-34(3,4)28(36)23-40-33-31-27(21-22-39-31)30(38-5)26-19-20-29(37)41-32(26)33/h7,13,16,19-22,24-25,28,35-36H,2,6,8-12,23H2,1,3-5H3/b16-13-
- Isomeric Smiles
- CCCCCCC/C=C\C(C#CC#CC(C=C)OC(C)(C)C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)O
- Cas Id
- Ob Score
- Mol Logp
- 5.9217
- Num H Donors
- 2
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 15
- Drug Likeness
- 0.0990
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Japoangelol b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Japoangelol b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
japoangelol B
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN031424
Npass
NPC242316
Tcmid
38278
Pub Chem
10483256
Tcmbank
TCMBANKIN028944
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C34H40O8/c1-6-8-9-10-11-12-13-16-24(35)17-14-15-18-25(7-2)42-34(3,4)28(36)23-40-33-31-27(21-22-39-31)30(38-5)26-19-20-29(37)41-32(26)33/h7,13,16,19-22,24-25,28,35-36H,2,6,8-12,23H2,1,3-5H3/b16-13-
Mol Wt
576.6860000000005
Smiles
CCCCCCCC=CC(C#CC#CC(C=C)OC(C)(C)C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)O
Mol Log P
5.921700000000008
In Ch Ikey
NSWJSXKALYPPSU-SSZFMOIBSA-N
Num Hdonors
2
Drug Likeness
0.099
Num Hacceptors
8
Isomeric Smiles
CCCCCCC/C=C\C(C#CC#CC(C=C)OC(C)(C)C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)O
Canonical Smiles
CCCCCCCC=CC(C#CC#CC(C=C)OC(C)(C)C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)O
Molecular Weight
576.7 g/mol
Molecular Formula
C34H40O8
Molecular Formula
C34H40O8
Num Rotatable Bonds
15