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
- 10531
- Core Entity Id
- 14867
- Source Entity Count
- 1
- Preferred Name
- Altissimacouniarin g
- Name En
- Pubchem Id
- 102194948
- Smiles Canonical
- CC(=CC1CC(C(O1)COC2=C(C=C3C=CC(=O)OC3=C2OC)OC)(C)O)C
- Molecular Formula
- C21H26O7
- Molecular Weight
- 390.4320
- Inchikey
- CUINKNJTLWWHNT-XMCUSZNHSA-N
- Inchi
- InChI=1S/C21H26O7/c1-12(2)8-14-10-21(3,23)16(27-14)11-26-19-15(24-4)9-13-6-7-17(22)28-18(13)20(19)25-5/h6-9,14,16,23H,10-11H2,1-5H3/t14-,16+,21?/m0/s1
- Isomeric Smiles
- CC(=C[C@H]1CC([C@H](O1)COC2=C(C=C3C=CC(=O)OC3=C2OC)OC)(C)O)C
- Cas Id
- Ob Score
- Mol Logp
- 3.0637
- Num H Donors
- 1
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.5990
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Altissimacouniarin g
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Altissimacouniarin g
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
altissimacouniarin G
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN015783
Npass
NPC40450
Tcmid
34516
Pub Chem
102194948
Tcmbank
TCMBANKIN013417
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H26O7/c1-12(2)8-14-10-21(3,23)16(27-14)11-26-19-15(24-4)9-13-6-7-17(22)28-18(13)20(19)25-5/h6-9,14,16,23H,10-11H2,1-5H3/t14-,16+,21?/m0/s1
Mol Wt
390.4320000000002
Smiles
CC(=CC1CC(C(O1)COC2=C(C=C3C=CC(=O)OC3=C2OC)OC)(C)O)C
Mol Log P
3.063700000000002
In Ch Ikey
CUINKNJTLWWHNT-XMCUSZNHSA-N
Num Hdonors
1
Drug Likeness
0.599
Num Hacceptors
7
Isomeric Smiles
CC(=C[C@H]1CC([C@H](O1)COC2=C(C=C3C=CC(=O)OC3=C2OC)OC)(C)O)C
Canonical Smiles
CC(=CC1CC(C(O1)COC2=C(C=C3C=CC(=O)OC3=C2OC)OC)(C)O)C
Molecular Formula
C21H26O7
Molecular Formula
C21H26O7
Num Rotatable Bonds
6