Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25699
- Core Entity Id
- 31761
- Source Entity Count
- 1
- Preferred Name
- Masticadienonicacid
- Name En
- Pubchem Id
- 73242216
- Smiles Canonical
- CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC3C2=CCC4C3(CCC(=O)C4(C)C)C)C)C
- Molecular Formula
- C30H46O3
- Molecular Weight
- 454.6950
- Inchikey
- VOYZLKWKVLYJHD-VRVYQCKBSA-N
- Inchi
- InChI=1S/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10-11,19,21-22,24H,8-9,12-18H2,1-7H3,(H,32,33)/b20-10-/t19-,21-,22+,24+,28-,29-,30+/m1/s1
- Isomeric Smiles
- C[C@H](CC/C=C(/C)\C(=O)O)[C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 7.6079
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.3430
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Masticadienonicacid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Masticadienonicacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
masticadienonicacid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-Oxolanosta-7,24Z-dien-26-oic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Oxolanosta-7,24Z-dien-26-oic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
LMST01010394
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMST01010394
Role
alias
Source
HERB_v2
Preferred
No
Name
Masticadienonic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Masticadienonic acid
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3-Oxolanosta-7,24Z-dien-26-oic acidLMST01010394Masticadienonic acid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN034539
Tcmid
13584
Pub Chem
73242216
Tcmbank
TCMBANKIN005614
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10-11,19,21-22,24H,8-9,12-18H2,1-7H3,(H,32,33)/b20-10-/t19-,21-,22+,24+,28-,29-,30+/m1/s1
Mol Wt
454.6950000000003
Smiles
CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC3C2=CCC4C3(CCC(=O)C4(C)C)C)C)C
Mol Log P
7.607900000000009
In Ch Ikey
VOYZLKWKVLYJHD-VRVYQCKBSA-N
Num Hdonors
1
Drug Likeness
0.343
Num Hacceptors
2
Isomeric Smiles
C[C@H](CC/C=C(/C)\C(=O)O)[C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C
Canonical Smiles
CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC3C2=CCC4C3(CCC(=O)C4(C)C)C)C)C
Herb Alias Names
Masticadienonic acid3-Oxolanosta-7,24Z-dien-26-oic acidLMST01010394
Molecular Weight
454.7 g/mol
Molecular Formula
C30H46O3
Molecular Formula
C30H46O3
Num Rotatable Bonds
5