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
- 19878
- Core Entity Id
- 25276
- Source Entity Count
- 1
- Preferred Name
- Garciosaterpene a
- Name En
- Pubchem Id
- 6479439
- Smiles Canonical
- CC(CCC=C(C)C(=O)O)C1CCC2(C1=CCC3C2(CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C
- Molecular Formula
- C32H50O4
- Molecular Weight
- 498.7480
- Inchikey
- YZQCQHGVDKAQIE-FXCZGFCUSA-N
- Inchi
- InChI=1S/C32H50O4/c1-20(10-9-11-21(2)28(34)35)23-14-18-31(7)24(23)12-13-26-30(6)17-16-27(36-22(3)33)29(4,5)25(30)15-19-32(26,31)8/h11-12,20,23,25-27H,9-10,13-19H2,1-8H3,(H,34,35)/b21-11+/t20-,23-,25+,26+,27+,30+,31+,32+/m1/s1
- Isomeric Smiles
- C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1CC[C@]2(C1=CC[C@@H]3[C@@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 7.9705
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.2290
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Garciosaterpene A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Garciosaterpene a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Garciosaterpene a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
美丽藤黄
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MEI LI TENG HUANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Beautiful Garcinia*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(3beta,8alpha,9beta,14beta,24E)-3-(Acetyloxy)dammara-12,24-dien-26-oic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(3beta,8alpha,9beta,14beta,24E)-3-(Acetyloxy)dammara-12,24-dien-26-oic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E,6R)-6-[(3S,5R,8S,9S,10R,14R,17R)-3-acetoxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E,6R)-6-[(3S,5R,8S,9S,10R,14R,17R)-3-acetoxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoic acid
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
美丽藤黄MEI LI TENG HUANGBeautiful Garcinia*(3beta,8alpha,9beta,14beta,24E)-3-(Acetyloxy)dammara-12,24-dien-26-oic acid(E,6R)-6-[(3S,5R,8S,9S,10R,14R,17R)-3-acetoxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoic acid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027355
Npass
NPC264878
Tcmid
8223
Pub Chem
6479439
Tcmbank
TCMBANKIN041891
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C32H50O4/c1-20(10-9-11-21(2)28(34)35)23-14-18-31(7)24(23)12-13-26-30(6)17-16-27(36-22(3)33)29(4,5)25(30)15-19-32(26,31)8/h11-12,20,23,25-27H,9-10,13-19H2,1-8H3,(H,34,35)/b21-11+/t20-,23-,25+,26+,27+,30+,31+,32+/m1/s1
Mol Wt
498.7480000000004
Mol Log P
7.970500000000009
In Ch Ikey
YZQCQHGVDKAQIE-FXCZGFCUSA-N
Tcm Name
美丽藤黄
Tcm Name2
MEI LI TENG HUANG
Mol2 Path
/TCM_database/2007_3d_all/08224.mol2
Reference
5491
Num Hdonors
1
Tcm Name En
Beautiful Garcinia*
Drug Likeness
0.229
Num Hacceptors
3
Isomeric Smiles
C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1CC[C@]2(C1=CC[C@@H]3[C@@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)C
Canonical Smiles
CC(CCC=C(C)C(=O)O)C1CCC2(C1=CCC3C2(CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C
Herb Alias Names
(3beta,8alpha,9beta,14beta,24E)-3-(Acetyloxy)dammara-12,24-dien-26-oic acid(E,6R)-6-[(3S,5R,8S,9S,10R,14R,17R)-3-acetoxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoic acid
Molecular Weight
498.7 g/mol
Molecular Formula
C32H50O4
Num Rotatable Bonds
6